2-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-chloro-7-methyl-3-quinolyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chloro-7-methyl-3-quinolinyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-chloro-7-methyl-3-quinolyl)methylthio]-6-methyl-1H-pyrimidin-4-one Formula: C16H14ClN3OS MolecularWeight: 331.81986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NC(=O)C=C(N3)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NC(=O)C=C(N3)C)Cl

InChI

InChI=1S/C16H14ClN3OS/c1-9-3-4-11-7-12(15(17)19-13(11)5-9)8-22-16-18-10(2)6-14(21)20-16/h3-7H,8H2,1-2H3,(H,18,20,21)